SCHEMBL5269712

SCHEMBL5269712

CCCC(C(C)=O)C(=O)O.[AlH3]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GRIK1 P39086 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIK2 Q13002 1/20 0.40
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL223020 0.97 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11587400 0.97 CHRM1 (0.55) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8135518 0.95 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28484976 0.95 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL705641 0.95 CHRM1 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Acetic Acid SCHEMBL8565565 0.92 CHRM1 (0.50) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL452330 0.86 TDP1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL17106060 0.85 CA2 (0.52) CHRM1AKR1A1CHRM3HTR2AHTR2C
Nitric Acid SCHEMBL7438759 0.84 CHRM1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15455666 0.83 TDP1 (0.43) CHRM1AKR1A1CHRM3HTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421864-B2 Metal surface processing agent NOK CORPORATION (JP) 2019-09-24 US disclosed
US-10421865-B2 Rubber-metal adhesive NOK CORPORATION (JP) 2019-09-24 US disclosed
EP-2930257-B1 METAL SURFACE PROCESSING AGENT NOK CORP (JP) 2017-09-27 EP disclosed
US-20170037254-A1 RUBBER-METAL ADHESIVE NOK CORPORATION (JP) 2017-02-09 US disclosed
EP-2930257-A1 METAL SURFACE PROCESSING AGENT NOK Corporation (JP) 2015-10-14 EP disclosed
US-20150274989-A1 Metal Surface Processing Agent NOK CORPORATION (JP) 2015-10-01 US disclosed
EP-1762581-A1 Curable resin composition, lining material and tube-shaped lining material Yoshika Corporation (JP) 2007-03-14 EP disclosed
EP-0308203-A1 Curable composition KANSAI PAINT CO., LTD. (JP) 1989-03-22 EP disclosed